3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C16H21N3O3 — CID 30482762

IUPAC3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCCN2CCCC2=O)c1
InChIInChI=1S/C16H21N3O3/c1-12(20)18-14-6-2-5-13(11-14)16(22)17-8-4-10-19-9-3-7-15(19)21/h2,5-6,11H,3-4,7-10H2,1H3,(H,17,22)(H,18,20)
InChIKeyGNGOKWPQXODVPH-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.39
Rot. Bonds6

About 3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 30482762) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID30482762
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCCN2CCCC2=O)c1
InChIInChI=1S/C16H21N3O3/c1-12(20)18-14-6-2-5-13(11-14)16(22)17-8-4-10-19-9-3-7-15(19)21/h2,5-6,11H,3-4,7-10H2,1H3,(H,17,22)(H,18,20)
InChIKeyGNGOKWPQXODVPH-UHFFFAOYSA-N
XLogP1.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
CID 110743652
N-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide
CID 52663990
3-chloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 46537539
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
CID 2225281
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39515028
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 25161910
3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 30482762) is 3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is CC(=O)Nc1cccc(C(=O)NCCCN2CCCC2=O)c1.
What is the InChIKey of 3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is GNGOKWPQXODVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12(20)18-14-6-2-5-13(11-14)16(22)17-8-4-10-19-9-3-7-15(19)21/h2,5-6,11H,3-4,7-10H2,1H3,(H,17,22)(H,18,20).
What are the key properties of 3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 303.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 30482762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).